http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL4DAGGM0001 2026-10-13T18:55:17Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL4DAGGM0001&diff=187353&oldid=prev 2009-03-14T00:00:00Z

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<p></p> <p><b>New page</b></p><div>&lt;pre&gt;<br /> <br /> Copyright: ARM project http://www.metabolome.jp/<br /> 35 38 0 0 0 0 0 0 0 0999 V2000<br /> -3.0808 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5599 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0390 -0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0390 -0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5599 0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0808 -0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5181 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9972 -0.7628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -0.9972 -0.1613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -1.5181 0.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5181 -1.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4175 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1112 -0.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6399 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6399 0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1112 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4175 0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.5314 0.1259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5290 -1.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1686 1.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5599 -1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4022 0.1547 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 1.9171 -0.2010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 2.5131 -0.2826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.9792 -0.6684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 3.4645 -0.3126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 2.8684 -0.2309 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 1.8306 0.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0976 0.1868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1664 -0.1658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1112 1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.6011 -1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.4645 -0.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5697 -1.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.8518 -2.0537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1 2 2 0 0 0 0<br /> 2 3 1 0 0 0 0<br /> 3 4 2 0 0 0 0<br /> 4 5 1 0 0 0 0<br /> 5 6 2 0 0 0 0<br /> 6 1 1 0 0 0 0<br /> 3 7 1 0 0 0 0<br /> 7 8 1 0 0 0 0<br /> 8 9 1 0 0 0 0<br /> 9 10 1 0 0 0 0<br /> 10 4 1 0 0 0 0<br /> 7 11 2 0 0 0 0<br /> 9 12 1 6 0 0 0<br /> 12 13 2 0 0 0 0<br /> 13 14 1 0 0 0 0<br /> 14 15 2 0 0 0 0<br /> 15 16 1 0 0 0 0<br /> 16 17 2 0 0 0 0<br /> 17 12 1 0 0 0 0<br /> 6 18 1 0 0 0 0<br /> 8 19 1 1 0 0 0<br /> 15 20 1 0 0 0 0<br /> 2 21 1 0 0 0 0<br /> 22 23 1 0 0 0 0<br /> 23 24 1 1 0 0 0<br /> 24 25 1 1 0 0 0<br /> 26 25 1 1 0 0 0<br /> 26 27 1 0 0 0 0<br /> 27 22 1 0 0 0 0<br /> 22 28 1 0 0 0 0<br /> 27 29 1 0 0 0 0<br /> 14 30 1 0 0 0 0<br /> 30 23 1 0 0 0 0<br /> 16 31 1 0 0 0 0<br /> 1 32 1 0 0 0 0<br /> 26 33 1 0 0 0 0<br /> 25 34 1 0 0 0 0<br /> 34 35 1 0 0 0 0<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 34 35<br /> M SBL 1 1 37<br /> M SMT 1 CH2OH<br /> M SVB 1 37 3.5697 -1.2784<br /> S SKP 8<br /> ID FL4DAGGM0001<br /> KNApSAcK_ID C00008727<br /> NAME Cedrinoside<br /> CAS_RN 75423-03-9<br /> FORMULA C22H24O13<br /> EXACTMASS 496.121690854<br /> AVERAGEMASS 496.41816000000006<br /> SMILES c(O)(c(C)4)cc(c3c(O)4)O[C@@H]([C@@H](O)C3=O)c(c1)cc(O[C@@H](C(O)2)O[C@H](CO)[C@@H](C2O)O)c(O)c(O)1<br /> M END<br /> &lt;/pre&gt;</div>

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